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Input

Input Water Quality


Cation Anion
mg/L meq/L mg/L
Ca++ 28 as Ca 1.4 Alk 158
Mg++ 11.5 as Mg 1.0 Cl- 47
Na+ 66 as Na 2.9 SO4= 35
K+ 6.6 as K 0.2 NO3- 0.5
NH4+ 0.0 as NH4 0.0 F- 0.7

Scations = 5.37

Other Measurements Errors in Analysis


(Temp. should be temp. which pH
and E.C. measurements were made) Electroneutrality
Temp 20.3 C Cations are in exess
pH 8.1 -log [H+] Total Dissolved Solids
E.C. 531 mS/cm Calc. TDS = 301
Si 11.6 as SiO2 Electrical Conductivity
TDS 301 mg/L Calc. E.C. = 544

Instructions:
1. Purpose - This spreadsheet is designed Light yellow boxes are for
to check the quality of a mineral analysis
2. Procedure - enter water quality Light Green boxes are for
measurements in light yellow boxes.
Model will balance the cations and anions,
calculate the TDS and compare it to the R. Trussell, Trussell Tech. 2009
measured TDS and calculate the
conductivity and compare it to the
measured TDS.

Page 3
Input

Anion
meq/L
as CaCO3 3.2
as Cl 1.3
as SO4 0.7
as NO3 0.0
as F 0.0

Sanions = 5.25

Errors in Analysis
% Error Acceptable?
Less than 2%?
1.2% O.K.
Less than 5%?
0.1% O.K.
Less than 3%?
-2.5% O.K

oxes are for data input


oxes are for output only

. Trussell, Trussell Tech. 2009

Page 4
Ct&DIC

Estimation of CCO2 & DIC


Ct or CCO2= 3.19 mmol of C/L
DIC = 38.3 mg of C/L
K1 = 4.56E-07 -
K2 = 5.56E-11 -
Kw = 7.67E-15 -
H+ = 7.94E-09 m/L
factor = 3.71E-15 -
Sigma = 0.9898 eq/mole
Delta = 9.57E-07 m/L
Ct = 0.0032 m of C/L

Page 5
Calculation of Conductivity from Mineral Analysis
C, meq/L z cond C*cond C*z2 C*z
Ca++
= 1.4 2 59.5 82.7 5.56 2.78
Mg++ = 1.0 2 53.1 50.9 3.83 1.92
Na+ = 2.9 1 50.1 143.1 2.86 2.86
K+ = 0.2 1 73.5 12.4 0.17 0.17
NH4+ = 0.0 1 65.0 0.0 0.00 0.00
H =
+
0.0000 1 349.8 3.0 0.00 0.00
5.37 292.1 12.42 7.72
SC+ = Go+ = SC+z2 SC+z
Z+ = 1.61
L+ = 54.37
Cl =-
1.3 1 76.3 101.0 1.32 1.32
SO4= = 0.7 2 79.8 57.5 2.88 1.44
NO3- = 0.0 1 71.4 0.5 0.01 0.01
F- = 0.0 1 65.0 2.4 0.04 0.04
CO3= = 0.044 2 86 3.8 0.17 0.09
HCO3- = 3.4 1 44.5 151.8 3.41 3.41
OH = -
0.000001 1 197.8 0.0 0.00 0.00
5.54 317.00 7.84 6.31
SC- = Go- = SC-z2 SC-z
Z+ = 1.24
L =
-
57.18
m Mineral Analysis
Final Calculations
Lo = 111.55
Q= 0.490
C= 5.46
Term 1 = 609.2
Term 2 = 0.679
Term 3 = 0.577
Term 4 = 61.38
Conductivity = 544
357508919.xls

Temperature Coefficients for a Variety of Acid-Base and S


Formula used for pK's: pK = a1 + a2/T + a3Log[T] + a4T + a5/T^2

Reaction pK[TK] A1 A2 A3 A4

HSO4- = H+ + SO4= 1.94 -56.889 2,307.9 19.886 0.006473


HPO4= = PO4 + H+ 2.13 -3.212 602.7 0.000 0.011198
H3PO4 = H2PO4 + H - +
2.13 -7.345 1,195.0 0.000 0.018400
Citric Acid, K3 3.15 -43.320 2,253.0 15.720 0.000000
HAc = Ac + H - +
4.77 -49.400 2,391.4 18.650 0.000000
Citric Acid, K2 4.78 -58.020 2,903.7 21.440 0.000000
Al 3+
+ H2O = Al(OH)2 + H + +
5.14 38.253 656.3 -14.327 0.000000
Ca(OH)2s = Ca 2+
+ 2OH -
5.03 -118.300 4,968.7 43.120 0.000000
H2CO3 = HCO3 + H - +
6.38 356.309 -21,834.4 -126.834 0.060920
Citric Acid, K1 6.38 -81.730 3,771.8 30.500 0.000000
H2S = HS + H - +
7.07 -29.337 6,067.6 0.000 0.053588
H2PO4- = HPO4 + H = +
7.22 -4.408 1,836.0 0.000 0.018300
HOCl = OCl + H - +
7.58 -18.731 4,245.5 0.000 0.040344
CaCO3s = Ca2+ + CO3= 8.45 171.907 -2,839.3 -71.595 0.077993
HCN = CN + H - +
9.35 1.875 2,193.5 0.000 0.000000
B(OH)3 + H2O = B(OH)4- + H+ 9.28 -3.687 2,291.9 0.000 0.017560
NH4+ = NH3 + H+ 9.40 -2.111 3,083.3 0.000 0.003415
Si(OH)4 + H2O = SIO(OH)3 + H - +
9.90 302.372 -15,669.7 -108.185 0.050698
Al 3+
+ 2H2O = Al(OH)2 + 2H + +
10.43 -88.500 9,391.6 27.121 0.000000
HCO3 = CO3 + H
- = +
10.37 107.887 -5,151.8 -38.926 0.032528
Al3+ + 3H2O = Al(OH)3s + 3H+ 11.11 -8.623 5,791.0 0.000 0.000000
Mg(OH)2s = Mg 2+
+ 2OH -
10.84 16.570 -1,682.4 0.000 0.000000
H2O2 = HO2 + H - +
11.75 5.573 1,811.6 0.000 0.000000
H2O = H + OH + -
14.15 -6.088 4,471.0 0.000 0.017060
Al3+ + 3H2O = Al(OH)3 + 3H+ 17.41 -226.374 18,247.8 73.597 0.000000
Al 3+
+ 4H2O = Al(OH) + 4H 4- +
23.16 -51.578 11,168.9 14.865 0.000000

Page 8
357508919.xls

Acid-Base and Solubility Constants


T= 293.45 K

A5 Reference

0.0 Nordstrom etal, 1990


0.0 Data in Sillen & Martell, 1964,1971
0.0 Harned & Owen, 1958
0.0 Data in Sillen & Martell, 1964,1971
0.0 Data in Sillen & Martell, 1964,1971
0.0 Data in Sillen & Martell, 1964,1971
0.0 Nordstrom etal, 1990
0.0 Data in Sillen & Martell, 1964,1971
1,684,915.0 Plummer & Busenberg, 1982
0.0 Data in Sillen & Martell, 1964,1971
0.0 Data in Sillen & Martell, 1964,1971
0.0 Harned & Owen, 1958
0.0 Data in Sillen & Martell, 1964,1971
0.0 Plummer & Busenberg, 1982
0.0 Data in Sillen & Martell, 1964,1971
0.0 Owen & King, 1943
0.0 Data in Sillen & Martell, 1964,1971
1,119,669.0 Busey & Mesmer, 1977
0.0 Nordstrom etal, 1990
563,713.9 Plummer & Busenberg, 1982
0.0 Nordstrom etal, 1990
0.0 Data in Sillen & Martell, 1964,1971
0.0 Data in Sillen & Martell, 1964,1971
0.0 Harned & Owen, 1958
0.0 Nordstrom etal, 1990
0.0 Nordstrom etal, 1990

Page 9
Act. Coef.

Ionic Strength Corrections Using the Davies Equation


Form: Log[g z] = -A*Z2[I/(1+I) - 0.3I]

I= 0.007525 Ionic Strength I = 0.086746758

Z A*Z2 Log[g z] gz
g1 = 1 0.507 -0.039 0.913
g2 = 2 2.027 -0.157 0.696
g3 = 3 4.560 -0.354 0.443
g4 = 4 8.106 -0.629 0.235

A = 1.82x106*[ET]-1.5
E = 60954/[T + 116] - 68.937

T= 293.45
E= 79.93
A= 0.507

Page 10
Act. Coef.

Page 11
pK T cor.

Correction of pK values for Ionic Strength


Reaction Symbol pK K K' pK'
HSO4- = H+ SO4= KSO4_2 1.94 1.14E-02 1.49E-02 1.83
HPO4= = PO4- + H+ KPO4_3 2.13 7.45E-03 1.17E-02 1.93
H3PO4 = H2PO4- + H+ KPO4_1 2.13 7.47E-03 8.18E-03 2.09
Citric Acid, K3 KCa_3 3.15 7.12E-04 7.80E-04 3.11
HAc = Ac- + H+ KAc_1 4.77 1.70E-05 1.86E-05 4.73
Citric Acid, K2 KCa_2 4.78 1.66E-05 2.18E-05 4.66
Al3+ + H2O = Al(OH)2+ + H+ KAl_1 5.14 7.29E-06 4.64E-06 5.33
Ca(OH)2s = Ca2+ + 2OH- KCa[OH]2_so 5.03 9.29E-06 2.10E-05 4.68
H2CO3 = HCO3- + H+ KCO2_o 6.38 4.17E-07 ### 6.34
Citric Acid, K1 KCa_1 6.38 4.14E-07 6.51E-07 6.19
H2S = HS- + H+ KH2S_1 7.07 8.61E-08 9.42E-08 7.03
H2PO4= = HPO4= + H+ KPO4_2 7.22 6.04E-08 7.93E-08 7.10
HOCl = OCl- + H+ KHOCl_1 7.58 2.66E-08 2.91E-08 7.54
CaCO3s = Ca2+ + CO3= KCaCO3_so 8.45 3.51E-09 ### 8.14
HCN = CN- + H+ KHCN_1 9.35 4.47E-10 4.89E-10 9.31
B(OH)3 + H2O = B(OH)4- + H+ KB[OH]3_1 9.28 5.29E-10 5.80E-10 9.24
NH4+ = NH3 + H+ KNH3_1 9.40 4.00E-10 3.65E-10 9.44
Si(OH)4 + H2O = SIO(OH)3- + H+KSi[OH]4_1 9.90 1.25E-10 1.37E-10 9.86
Al3+ + 2H2O = Al(OH)2+ + 2H+ KAl_2 10.43 3.75E-11 4.92E-11 ###
HCO3- = CO3= + H+ KCO2_2 10.37 4.24E-11 ### ###
Al3+ + 3H2O = Al(OH)3s + 3H+ KAl[OH]3_so 11.11 7.74E-12 7.07E-12 ###
Mg(OH)2s = Mg2+ + 2OH- KMg[OH]2_so 10.84 1.46E-11 2.51E-11 ###
H2O2 = HO2- + H+ KH2O2_1 11.75 1.79E-12 1.96E-12 ###
H2O = H+ + OH- Kw 14.15 7.01E-15 7.67E-15 ###
Al3+ + 3H2O = Al(OH)3 + 3H+ KAl_3 17.41 3.87E-18 1.71E-18 ###
Al3+ + 4H2O = Al(OH)4- + 4H+ KAl_4 23.16 6.88E-24 3.33E-24 ###

Page 12
pK T cor.

Nomenclature Example:

K =[AHCO3-][AH+]/[H2CO3]
K' = [HCO3][AH+]/[H2CO3]
K'=K/gam1

Page 13